Drug Information

Drug General Information
Drug ID
DX0UKE
Drug Name
4-(4-(4-(4-(4-fluorophenyl)piperazine-1-carbonyl)piperidin-1-yl)phenylsulfonyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide
Synonyms
CHEMBL1085787
Indication Discovery agent Investigative [1587926]
Formula
C28H35FN4O6S
Canonical SMILES
ONC(=O)C1(CCOCC1)S(=O)(=O)c2ccc(cc2)N3CCC(CC3)C(=O)N4CCN(CC4)c5ccc(F)cc5
InChI
InChI=1S/C28H35FN4O6S/c29-22-1-3-23(4-2-22)32-15-17-33(18-16-32)26(34)21-9-13-31(14-10-21)24-5-7-25(8-6-24)40(37,38)28(27(35)30-36)11-19-39-20-12-28/h1-8,21,36H,9-20H2,(H,30,35)
InChIKey
JKMQHCXIFJQOMJ-UHFFFAOYSA-N
Target and Pathway
Target(s) 72 kDa type IV collagenase Target Info [1587926]
Collagenase 3 Target Info [1587926]
KEGG Pathway Leukocyte transendothelial migration
GnRH signaling pathway
Estrogen signaling pathway
Pathways in cancer
Proteoglycans in cancer
Bladder cancer
NetPath Pathway Leptin Signaling Pathway
TCR Signaling Pathway
ID Signaling PathwayNetPath_13:IL1 Signaling Pathway
PANTHER Pathway Alzheimer disease-presenilin pathwayP00004:Alzheimer disease-presenilin pathway
Plasminogen activating cascade
Pathway Interaction Database LPA receptor mediated events
Plasma membrane estrogen receptor signaling
Osteopontin-mediated events
Validated transcriptional targets of AP1 family members Fra1 and Fra2
Angiopoietin receptor Tie2-mediated signaling
Direct p53 effectors
amb2 Integrin signaling
ATF-2 transcription factor network
FOXM1 transcription factor network
Regulation of nuclear beta catenin signaling and target gene transcription
Syndecan-2-mediated signaling eventsupa_upar_pathway:Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling
Reactome Collagen degradation
Degradation of the extracellular matrix
Activation of Matrix Metalloproteinases
Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs)
EPH-ephrin mediated repulsion of cellsR-HSA-1442490:Collagen degradation
Assembly of collagen fibrils and other multimeric structures
WikiPathways Activation of Matrix Metalloproteinases
AGE/RAGE pathway
Matrix MetalloproteinasesWP474:Endochondral Ossification
Oncostatin M Signaling Pathway
Matrix Metalloproteinases
References
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017

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